1-[2-amino-5-(7-azabicyclo[2.2.1]heptan-7-yl)-5-oxopentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylimidazo[4,5-c]pyridin-2-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(3-methylimidazo[4,5-c]pyridin-2-yl)methyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-[2-(trifluoromethyl)phenyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide

C125H154F3N27O15 — CID 167583861

IUPAC1-[2-amino-5-(7-azabicyclo[2.2.1]heptan-7-yl)-5-oxopentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylimidazo[4,5-c]pyridin-2-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(3-methylimidazo[4,5-c]pyridin-2-yl)methyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-[2-(trifluoromethyl)phenyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C(N)CCC(=O)N3C4CCC3CC4)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C3CC(c4ccccc4C(F)(F)F)CN3)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3nc4ccncc4n3C)N(C(=O)C(N)CCC(=O)N3CCCC3)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3nc4cnccc4n3C)N(C(=O)C(N)CCC(=O)N3CCCC3)C2)cc1
InChIInChI=1S/C33H35F3N6O3.C32H41N7O4.2C30H39N7O4/c1-41-29-12-9-21(14-27(29)39-40-41)17-38-31(43)30-15-22(13-20-7-10-24(45-2)11-8-20)19-42(30)32(44)28-16-23(18-37-28)25-5-3-4-6-26(25)33(34,35)36;1-37-28-13-5-21(16-27(28)35-36-37)18-34-31(41)29-17-22(15-20-3-10-25(43-2)11-4-20)19-38(29)32(42)26(33)12-14-30(40)39-23-6-7-24(39)9-8-23;1-35-25-11-12-32-17-24(25)34-27(35)18-33-29(39)26-16-21(15-20-5-7-22(41-2)8-6-20)19-37(26)30(40)23(31)9-10-28(38)36-13-3-4-14-36;1-35-26-17-32-12-11-24(26)34-27(35)18-33-29(39)25-16-21(15-20-5-7-22(41-2)8-6-20)19-37(25)30(40)23(31)9-10-28(38)36-13-3-4-14-36/h3-12,14,22-23,28,30,37H,13,15-19H2,1-2H3,(H,38,43);3-5,10-11,13,16,22-24,26,29H,6-9,12,14-15,17-19,33H2,1-2H3,(H,34,41);5-8,11-12,17,21,23,26H,3-4,9-10,13-16,18-19,31H2,1-2H3,(H,33,39);5-8,11-12,17,21,23,25H,3-4,9-10,13-16,18-19,31H2,1-2H3,(H,33,39)
InChIKeyHNMCYABMBHEEJC-UHFFFAOYSA-N
MW2331.77 g/mol
LogP10.10
Rot. Bonds38

About 1-[2-amino-5-(7-azabicyclo[2.2.1]heptan-7-yl)-5-oxopentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylimidazo[4,5-c]pyridin-2-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(3-methylimidazo[4,5-c]pyridin-2-yl)methyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-[2-(trifluoromethyl)phenyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide

1-[2-amino-5-(7-azabicyclo[2.2.1]heptan-7-yl)-5-oxopentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylimidazo[4,5-c]pyridin-2-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(3-methylimidazo[4,5-c]pyridin-2-yl)methyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-[2-(trifluoromethyl)phenyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide (PubChem CID 167583861) has the molecular formula C125H154F3N27O15 and a molecular weight of 2331.77 g/mol. Its IUPAC name is 1-[2-amino-5-(7-azabicyclo[2.2.1]heptan-7-yl)-5-oxopentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylimidazo[4,5-c]pyridin-2-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(3-methylimidazo[4,5-c]pyridin-2-yl)methyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-[2-(trifluoromethyl)phenyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-amino-5-(7-azabicyclo[2.2.1]heptan-7-yl)-5-oxopentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylimidazo[4,5-c]pyridin-2-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(3-methylimidazo[4,5-c]pyridin-2-yl)methyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-[2-(trifluoromethyl)phenyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
PubChem CID167583861
Molecular FormulaC125H154F3N27O15
Molecular Weight2331.77 g/mol
Exact Mass2330.21
IUPAC Name1-[2-amino-5-(7-azabicyclo[2.2.1]heptan-7-yl)-5-oxopentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylimidazo[4,5-c]pyridin-2-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(3-methylimidazo[4,5-c]pyridin-2-yl)methyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-[2-(trifluoromethyl)phenyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C(N)CCC(=O)N3C4CCC3CC4)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C3CC(c4ccccc4C(F)(F)F)CN3)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3nc4ccncc4n3C)N(C(=O)C(N)CCC(=O)N3CCCC3)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3nc4cnccc4n3C)N(C(=O)C(N)CCC(=O)N3CCCC3)C2)cc1
InChIInChI=1S/C33H35F3N6O3.C32H41N7O4.2C30H39N7O4/c1-41-29-12-9-21(14-27(29)39-40-41)17-38-31(43)30-15-22(13-20-7-10-24(45-2)11-8-20)19-42(30)32(44)28-16-23(18-37-28)25-5-3-4-6-26(25)33(34,35)36;1-37-28-13-5-21(16-27(28)35-36-37)18-34-31(41)29-17-22(15-20-3-10-25(43-2)11-4-20)19-38(29)32(42)26(33)12-14-30(40)39-23-6-7-24(39)9-8-23;1-35-25-11-12-32-17-24(25)34-27(35)18-33-29(39)26-16-21(15-20-5-7-22(41-2)8-6-20)19-37(26)30(40)23(31)9-10-28(38)36-13-3-4-14-36;1-35-26-17-32-12-11-24(26)34-27(35)18-33-29(39)25-16-21(15-20-5-7-22(41-2)8-6-20)19-37(25)30(40)23(31)9-10-28(38)36-13-3-4-14-36/h3-12,14,22-23,28,30,37H,13,15-19H2,1-2H3,(H,38,43);3-5,10-11,13,16,22-24,26,29H,6-9,12,14-15,17-19,33H2,1-2H3,(H,34,41);5-8,11-12,17,21,23,26H,3-4,9-10,13-16,18-19,31H2,1-2H3,(H,33,39);5-8,11-12,17,21,23,25H,3-4,9-10,13-16,18-19,31H2,1-2H3,(H,33,39)
InChIKeyHNMCYABMBHEEJC-UHFFFAOYSA-N
XLogP10.10
TPSA508.42 Ų
H-Bond Donors8
H-Bond Acceptors31
Rotatable Bonds38
Heavy Atoms170
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002331.77
LogP ≤ 510.10
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1031

Analyze 1-[2-amino-5-(7-azabicyclo[2.2.1]heptan-7-yl)-5-oxopentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylimidazo[4,5-c]pyridin-2-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(3-methylimidazo[4,5-c]pyridin-2-yl)methyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-[2-(trifluoromethyl)phenyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide with MolForge

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Related Compounds

2-[(11S,14R,17S,20S,23S,26S,29S,35S,38S)-11-(4-aminobutyl)-38-carbamoyl-17-[(5-fluoro-1H-indol-3-yl)methyl]-20-[(6-fluoro-1H-indol-3-yl)methyl]-26-(1H-imidazol-5-ylmethyl)-29-[(4-methoxyphenyl)methyl]-14,35-dimethyl-9,12,15,18,21,24,27,30,36-nonaoxo-2,3,4,10,13,16,19,22,25,28,31,37-dodecazatetracyclo[38.2.2.12,5.031,35]pentatetraconta-1(43),3,5(45),40(44),41-pentaen-23-yl]acetic acid
CID 163527093
2-[(8S,11S,14R,17S,20S,23S,26S,29S,35S,38S)-8-acetamido-11-(4-aminobutyl)-38-carbamoyl-17,20-bis[(5-fluoro-1H-indol-3-yl)methyl]-26-(1H-imidazol-5-ylmethyl)-29-[(4-methoxyphenyl)methyl]-14,35-dimethyl-9,12,15,18,21,24,27,30,36-nonaoxo-2,3,4,10,13,16,19,22,25,28,31,37-dodecazatetracyclo[38.2.2.12,5.031,35]pentatetraconta-1(43),3,5(45),40(44),41-pentaen-23-yl]acetic acid
CID 166611926
2-[(7R,10R,13S,16S,19S,22S,25S,31S,34S)-7-acetamido-34-carbamoyl-13,16-bis[(5-fluoro-1H-indol-3-yl)methyl]-22-(1H-imidazol-5-ylmethyl)-25-[(4-methoxyphenyl)methyl]-10,31-dimethyl-8,11,14,17,20,23,26,32-octaoxo-2,3,4,9,12,15,18,21,24,27,33-undecazatetracyclo[34.2.2.12,5.027,31]hentetraconta-1(39),3,5(41),36(40),37-pentaen-19-yl]acetic acid
CID 166611935
2-[(8R,11S,14S,17S,20S,23S,26S,32S,35S)-8-acetamido-35-carbamoyl-14,17-bis[(5-fluoro-1H-indol-3-yl)methyl]-23-(1H-imidazol-4-ylmethyl)-26-[(4-methoxyphenyl)methyl]-11,32-dimethyl-9,12,15,18,21,24,27,33-octaoxo-2,3,4,10,13,16,19,22,25,28,34-undecazatetracyclo[35.2.2.12,5.028,32]dotetraconta-1(40),3,5(42),37(41),38-pentaen-20-yl]acetic acid
CID 166611943
2-[(10R,13S,16S,19S,22S,25S,31S,34S)-34-carbamoyl-13,16-bis[(5-fluoro-1H-indol-3-yl)methyl]-22-(1H-imidazol-5-ylmethyl)-25-[(4-methoxyphenyl)methyl]-10,31-dimethyl-8,11,14,17,20,23,26,32-octaoxo-2,3,4,9,12,15,18,21,24,27,33-undecazatetracyclo[34.2.2.12,5.027,31]hentetraconta-1(39),3,5(41),36(40),37-pentaen-19-yl]acetic acid
CID 166612011
N-[3-[4-[[(2-amino-2-oxoethyl)-[2-[[2-[[2-[[2-[[2-[[1-[3-[4-[3-[6-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]butanoylamino]propyl]triazol-4-yl]methylamino]acetyl]-propylamino]acetyl]-propylamino]acetyl]-propylamino]acetyl]-propylamino]acetyl]amino]methyl]triazol-1-yl]propyl]-4-[4-[6-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]butanamide
CID 162644742
2-[(10S,13R,16S,19S,22S,25S,28S,34S,37S)-10-(4-aminobutyl)-37-carbamoyl-16-[(5-fluoro-1H-indol-3-yl)methyl]-19-[(6-fluoro-1H-indol-3-yl)methyl]-25-(1H-imidazol-5-ylmethyl)-28-[(4-methoxyphenyl)methyl]-13,34-dimethyl-8,11,14,17,20,23,26,29,35-nonaoxo-2,3,4,9,12,15,18,21,24,27,30,36-dodecazatetracyclo[37.2.2.12,5.030,34]tetratetraconta-1(42),3,5(44),39(43),40-pentaen-22-yl]acetic acid
CID 166611924
N-[3-[4-[[[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-[[1-[3-[4-[2,6-ditert-butyl-4-[6-[4-(4-methylpiperazin-1-yl)phenyl]-1H-benzimidazol-2-yl]phenoxy]butanoylamino]propyl]triazol-4-yl]methyl]amino]-2-oxoethyl]-propylamino]-2-oxoethyl]-propylamino]-2-oxoethyl]-propylamino]-2-oxoethyl]-propylamino]-2-oxoethyl]amino]methyl]triazol-1-yl]propyl]-4-[2,6-ditert-butyl-4-[6-[4-(4-methylpiperazin-1-yl)phenyl]-1H-benzimidazol-2-yl]phenoxy]butanamide
CID 171347279
2-[[1-[3-[4-[4-[6-[4-(4-methylpiperazin-1-yl)phenyl]-1H-benzimidazol-2-yl]phenoxy]butanoylamino]propyl]triazol-4-yl]methyl-[2-[[2-[[2-[[2-[[1-[3-[4-[4-[6-[4-(4-methylpiperazin-1-yl)phenyl]-1H-benzimidazol-2-yl]phenoxy]butanoylamino]propyl]triazol-4-yl]methylamino]acetyl]-propylamino]acetyl]-propylamino]acetyl]-propylamino]acetyl]amino]acetic acid
CID 171348077
2-[(9S,12S,15R,18S,21S,24S,27S,30S,36S,39S)-9-acetamido-12-(4-aminobutyl)-39-carbamoyl-18,21-bis[(5-fluoro-1H-indol-3-yl)methyl]-27-(1H-imidazol-5-ylmethyl)-30-[(4-methoxyphenyl)methyl]-15,36-dimethyl-10,13,16,19,22,25,28,31,37-nonaoxo-2,3,4,11,14,17,20,23,26,29,32,38-dodecazatetracyclo[39.2.2.12,5.032,36]hexatetraconta-1(44),3,5(46),41(45),42-pentaen-24-yl]acetic acid
CID 166611909
2-[(9R,12S,15S,18S,21S,24S,27S,33S,36S)-9-acetamido-36-carbamoyl-15,18-bis[(5-fluoro-1H-indol-3-yl)methyl]-24-(1H-imidazol-5-ylmethyl)-27-[(4-methoxyphenyl)methyl]-12,33-dimethyl-10,13,16,19,22,25,28,34-octaoxo-2,3,4,11,14,17,20,23,26,29,35-undecazatetracyclo[36.2.2.12,5.029,33]tritetraconta-1(41),3,5(43),38(42),39-pentaen-21-yl]acetic acid
CID 166611946
methyl N-[(2S)-1-[2-[[6-[(2R,5R)-1-[3,5-difluoro-4-[4-(4-methoxyphenyl)piperidin-1-yl]phenyl]-5-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]pyrrolidin-2-yl]-1H-benzimidazol-2-yl]methyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 137410792

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-5-(7-azabicyclo[2.2.1]heptan-7-yl)-5-oxopentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylimidazo[4,5-c]pyridin-2-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(3-methylimidazo[4,5-c]pyridin-2-yl)methyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-[2-(trifluoromethyl)phenyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-amino-5-(7-azabicyclo[2.2.1]heptan-7-yl)-5-oxopentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylimidazo[4,5-c]pyridin-2-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(3-methylimidazo[4,5-c]pyridin-2-yl)methyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-[2-(trifluoromethyl)phenyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide (CID 167583861) is 1-[2-amino-5-(7-azabicyclo[2.2.1]heptan-7-yl)-5-oxopentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylimidazo[4,5-c]pyridin-2-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(3-methylimidazo[4,5-c]pyridin-2-yl)methyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-[2-(trifluoromethyl)phenyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-amino-5-(7-azabicyclo[2.2.1]heptan-7-yl)-5-oxopentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylimidazo[4,5-c]pyridin-2-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(3-methylimidazo[4,5-c]pyridin-2-yl)methyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-[2-(trifluoromethyl)phenyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-amino-5-(7-azabicyclo[2.2.1]heptan-7-yl)-5-oxopentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylimidazo[4,5-c]pyridin-2-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(3-methylimidazo[4,5-c]pyridin-2-yl)methyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-[2-(trifluoromethyl)phenyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide is COc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C(N)CCC(=O)N3C4CCC3CC4)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C3CC(c4ccccc4C(F)(F)F)CN3)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3nc4ccncc4n3C)N(C(=O)C(N)CCC(=O)N3CCCC3)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3nc4cnccc4n3C)N(C(=O)C(N)CCC(=O)N3CCCC3)C2)cc1.
What is the InChIKey of 1-[2-amino-5-(7-azabicyclo[2.2.1]heptan-7-yl)-5-oxopentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylimidazo[4,5-c]pyridin-2-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(3-methylimidazo[4,5-c]pyridin-2-yl)methyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-[2-(trifluoromethyl)phenyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide?
The InChIKey is HNMCYABMBHEEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35F3N6O3.C32H41N7O4.2C30H39N7O4/c1-41-29-12-9-21(14-27(29)39-40-41)17-38-31(43)30-15-22(13-20-7-10-24(45-2)11-8-20)19-42(30)32(44)28-16-23(18-37-28)25-5-3-4-6-26(25)33(34,35)36;1-37-28-13-5-21(16-27(28)35-36-37)18-34-31(41)29-17-22(15-20-3-10-25(43-2)11-4-20)19-38(29)32(42)26(33)12-14-30(40)39-23-6-7-24(39)9-8-23;1-35-25-11-12-32-17-24(25)34-27(35)18-33-29(39)26-16-21(15-20-5-7-22(41-2)8-6-20)19-37(26)30(40)23(31)9-10-28(38)36-13-3-4-14-36;1-35-26-17-32-12-11-24(26)34-27(35)18-33-29(39)25-16-21(15-20-5-7-22(41-2)8-6-20)19-37(25)30(40)23(31)9-10-28(38)36-13-3-4-14-36/h3-12,14,22-23,28,30,37H,13,15-19H2,1-2H3,(H,38,43);3-5,10-11,13,16,22-24,26,29H,6-9,12,14-15,17-19,33H2,1-2H3,(H,34,41);5-8,11-12,17,21,23,26H,3-4,9-10,13-16,18-19,31H2,1-2H3,(H,33,39);5-8,11-12,17,21,23,25H,3-4,9-10,13-16,18-19,31H2,1-2H3,(H,33,39).
What are the key properties of 1-[2-amino-5-(7-azabicyclo[2.2.1]heptan-7-yl)-5-oxopentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylimidazo[4,5-c]pyridin-2-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(3-methylimidazo[4,5-c]pyridin-2-yl)methyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-[2-(trifluoromethyl)phenyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide?
1-[2-amino-5-(7-azabicyclo[2.2.1]heptan-7-yl)-5-oxopentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylimidazo[4,5-c]pyridin-2-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(3-methylimidazo[4,5-c]pyridin-2-yl)methyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-[2-(trifluoromethyl)phenyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide has a molecular weight of 2331.77 g/mol, XLogP of 10.10, 38 rotatable bonds, 8 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-5-(7-azabicyclo[2.2.1]heptan-7-yl)-5-oxopentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylimidazo[4,5-c]pyridin-2-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(3-methylimidazo[4,5-c]pyridin-2-yl)methyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-[2-(trifluoromethyl)phenyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 167583861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).